2-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-4-(4-ethoxybenzyl)-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC=C3O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC=C3O

InChI

InChI=1S/C22H30N2O3/c1-2-27-21-9-7-18(8-10-21)15-24-13-12-23(17-20(24)11-14-25)16-19-5-3-4-6-22(19)26/h3-10,20,25-26H,2,11-17H2,1H3/p+1/t20-/m0/s1